Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor' and Ligand = 'BDBM50019961'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019961 (1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H24FN3O/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)16-19-10-11-20(24-19)17-6-8-18(23)9-7-17/h2-11,24H,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Potency to displace [3H]- WB-4101 from alpha-1 adrenergic receptor in rat striatum				J Med Chem 31: 1934-40 (1988) BindingDB Entry DOI: 10.7270/Q2SJ1JMB
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50019961 (1-[5-(4-Fluoro-phenyl)-1H-pyrrol-2-ylmethyl]-4-(2-...) Show SMILES COc1ccccc1N1CCN(Cc2ccc([nH]2)-c2ccc(F)cc2)CC1 Show InChI InChI=1S/C22H24FN3O/c1-27-22-5-3-2-4-21(22)26-14-12-25(13-15-26)16-19-10-11-20(24-19)17-6-8-18(23)9-7-17/h2-11,24H,12-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duphar Research Laboratories Curated by ChEMBL					Assay Description Ability to inhibit [3H]WB-4101 binding to alpha-1 adrenergic receptor was determined in rat				J Med Chem 30: 2099-104 (1987) BindingDB Entry DOI: 10.7270/Q2W959R8
					More data for this Ligand-Target Pair